[(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium

C12H26NO+ — CID 7054303

IUPAC[(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium
SMILESC[NH2+]C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C
InChIInChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/p+1/t9-,10-,12-/m1/s1
InChIKeyGNYKHQJGTQHNQT-CKYFFXLPSA-O
MW200.35 g/mol
LogP1.00
Rot. Bonds3

About [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium

[(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium (PubChem CID 7054303) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium
PubChem CID7054303
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Name[(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium
SMILESC[NH2+]C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C
InChIInChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/p+1/t9-,10-,12-/m1/s1
InChIKeyGNYKHQJGTQHNQT-CKYFFXLPSA-O
XLogP1.00
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium?
The IUPAC name of [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium (CID 7054303) is [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium.
What is the SMILES notation for [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium?
The canonical SMILES for [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium is C[NH2+]C[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C.
What is the InChIKey of [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium?
The InChIKey is GNYKHQJGTQHNQT-CKYFFXLPSA-O. The full InChI is InChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/p+1/t9-,10-,12-/m1/s1.
What are the key properties of [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium?
[(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium has a molecular weight of 200.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl]-methylazanium is sourced from PubChem (CID 7054303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).